Mon 8th May:
Denis Bucher
- QM/MM Car-Parrinello simulations on a KcsA potassium channel
Tue 16th May:
Ross McKenzie
- Quantum coherence of electronic excitations in biomolecules
Fri 19th May:
David Scholl
- Materials discovery for hydrogen purification and storage
Thu 24th Aug:
Klaus-Peter Bohnen
- Lattice dynamics and electron-phonon interactions in nanotubes
Wed 16th February:
Mira Todorova - Oxide Formation on Palladium Surfaces
Wed 2nd March:
Shiqiang Hao - Interstitial O and CO in Si and Si/Ge
Wed 16th March:
Nigel Marks - Phosphine Dissocation on the Si(001) Surface
Wed 30th March:
Benjamin Soule de Bas - Structure and Thermal Stability of Small Gold
Nanoclusters
Wed 13th April:
Wed 27th April:
Wed 11th May:
David Smith - The Pyruvate Formate-Lyase Substrate Mechanism
Wed 25th May:
Alessio Gagliardi - Electron Transport in Molecular Devices
Fri 3rd June:
Josef Anton - Fully relativistic density functional calculations for many electron systems
Wed 8th June:
Angus Gray-Weale -
Wed 15th June:
Paul Burn -
Wed 22nd June:
Vicki Keast - DFT calculations and Electron Energy Loss Spectrscopy
Wed 6th July:
Gianfranco Pacchioni - Metal atoms at surfaces: charging mechanisms & consequences
Mon 18th July: Art Freeman -
Wed 3rd August:
Wed 17th August:
David Graham -
Wed 10th March:
Oliver Warschkow - Interstitial Oxygen in Tin-Doped Indium Oxide
Wed 24th March:
Greg Sandala - Studies of Carbapenem Biosynthesis
Wed 7th April:
Karina Sendt - Oxidation Reactions on the Armchair Surface of Carbon
Wed 21st April:
Justin Toh - Ultrasoft-pseudopotentials: Issues and algorithms
Wed 5th May:
Carl Cui - Photo-isomerization in small Al-O clusters
Wed 19th May:
Turgut Bastug - Testing Force-Fields in Ion-Channels
Wed 2nd June:
Naomi Haworth - Structure and Thermochemistry of Calcium Compounds
Wed 16th June:
Bronwyn Thomas - Radiation Damage in Strontium-Lanthanum Titanates
Wed 30th June:
Marcus Elstner - Empirical DFT
Wed 14th July:
Josef Michl - Molecular Rotors
Wed 21st July:
Ben Powell - Novel Quantum Materials and Biomolecules
Wed 28th July:
Deborah Crittenden - A Chemist's Guide to Nuclear Motion
Fri 30th July:
Ryoji Asahi - First-principles Design of Functional Wide-gap Semiconductors
Tue 10th August:
Mukunda Das - Successes and Failures of the DFT
Wed 25th August:
Angus Gray-Weale - Dynamical Arrest in Crystals and Liquids
Wed 8th September:
Peter Canfield - Quantum Refinement of the Photosystem-I Trimer
Wed 22nd September:
Angus Gray-Weale - Simulating and Designing Superionic Nanostructures
Wed 6th October:
Bun Chan - Base-Catalyzed Hydrogenation
Wed 27th October:
Bernard Delley - Molecules as Tri-state Systems? Theory and Evidence
Wed 10th November:
Gemma Solomon - Calculating the Conductivity of a Single Molecule
Wed 17th November:
Jiri Houska - Microstructure of the amorphous quaternary alloy Si-C-B-N
Wed 24th November:
Sian Howard - Wavefunctions from X-ray scattering
Wed 1st December:
Mats Dahlbom - Failure of TDDFT for chlorophyll-like molecules